3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one CAS Name: 3-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Traditional Name: 3-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Formula: C18H20F3N5O+2 MolecularWeight: 379.37951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H18F3N5O/c19-18(20,21)13-5-6-16(22-11-13)25-9-7-24(8-10-25)12-26-15-4-2-1-3-14(15)23-17(26)27/h1-6,11H,7-10,12H2,(H,23,27)/p+2